SCHEMBL8380309

SCHEMBL8380309

CCOC(=O)C1(C)CCc2c(C)c(OC(C)=O)c(C)c(C)c2O1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTPA P49638 3/20 0.69
ALOX5 P09917 2/20 0.69
PSEN1 P49768 10/20 0.56
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PDE4A P27815 1/20 0.52
PDE3A Q14432 1/20 0.52
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16282036 0.87 PSEN1 (0.57) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL15150890 0.85 TTPA (0.52) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL11705224 0.84 PTGS1 (0.66) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL11701874 0.84 PTGS1 (0.66) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL2059457 0.84 PTGS1 (0.66) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL8544235 0.83 TTPA (0.58) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL11707766 0.83 TTPA (0.58) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL30951067 0.83 PTGS1 (0.68) TTPAALOX5PSEN1PTGS1PTGS2
Hydrochloric Acid SCHEMBL11702891 0.83 PTGS1 (0.64) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL11706439 0.83 TTPA (0.58) TTPAALOX5PSEN1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0645383-B1 Process for producing chromanes KURARAY CO (JP) 1999-03-24 EP disclosed
US-5495026-A Process for producing chroman KURARAY COMPANY LTD. (JP) 1996-02-27 US disclosed
EP-0645383-A1 Process for producing chroman KURARAY CO., LTD. (JP) 1995-03-29 EP disclosed